7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide

C19H19N5O2S — CID 121257599

IUPAC7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
SMILESCc1cc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)cs2)CCCO3)ccn1
InChIInChI=1S/C19H19N5O2S/c1-12-10-14(6-7-20-12)15-4-5-16-17(22-15)24(8-3-9-26-16)19(25)23-18-21-13(2)11-27-18/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,23,25)
InChIKeySAEWGNRYNHGBHV-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.04
Rot. Bonds2

About 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide

7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide (PubChem CID 121257599) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide.

Molecular Properties

Compound Name7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
PubChem CID121257599
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
SMILESCc1cc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)cs2)CCCO3)ccn1
InChIInChI=1S/C19H19N5O2S/c1-12-10-14(6-7-20-12)15-4-5-16-17(22-15)24(8-3-9-26-16)19(25)23-18-21-13(2)11-27-18/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,23,25)
InChIKeySAEWGNRYNHGBHV-UHFFFAOYSA-N
XLogP4.04
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide with MolForge

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Related Compounds

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
2-(2-(4-Methylthiazol-2-ylamino)pyridin-3-yloxy)benzonitrile
CID 16752714
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
3-(Benzyloxy)-5-bromo-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16061466
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 16660170
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 16660844

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
The IUPAC name of 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide (CID 121257599) is 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide.
What is the SMILES notation for 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
The canonical SMILES for 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide is Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)cs2)CCCO3)ccn1.
What is the InChIKey of 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
The InChIKey is SAEWGNRYNHGBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-10-14(6-7-20-12)15-4-5-16-17(22-15)24(8-3-9-26-16)19(25)23-18-21-13(2)11-27-18/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,23,25).
What are the key properties of 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide is sourced from PubChem (CID 121257599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).